SCHEMBL7507635

SCHEMBL7507635

CN(C)CCCn1cc(-c2cncc(-c3ccsc3)c2)c2cc(C#N)ccc21

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.73
FLT1 P17948 5/20 0.54
FLT4 P35916 5/20 0.54
CYP2A6 P11509 3/20 0.38
FLT3 P36888 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1D P28221 1/20 0.37
RET P07949 1/20 0.36
IRAK1 P51617 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
EML4 Q9HC35 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
ALK Q9UM73 1/20 0.36
HTR6 P50406 1/20 0.35
ICMT O60725 1/20 0.34
SLC6A4 P31645 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7507112 0.87 KDR (0.59) KDRFLT1FLT4FLT3TDP1
SCHEMBL7550084 0.86 KDR (0.74) KDRFLT1FLT4CYP2A6
SCHEMBL7512851 0.85 KDR (0.52) KDRFLT1FLT4FLT3TDP1
SCHEMBL7553991 0.85 KDR (1.00) KDRFLT1FLT4CYP2A6FLT3
SCHEMBL7993801 0.84 KDR (0.75) KDRFLT1FLT4TDP1HTR6
SCHEMBL7549911 0.84 KDR (0.74) KDRFLT1FLT4CYP2A6
SCHEMBL7987165 0.84 KDR (0.51) KDRFLT3TDP1HTR6ICMT
SCHEMBL7511883 0.84 KDR (0.58) KDRFLT1FLT4CYP2A6FLT3
SCHEMBL7507970 0.83 KDR (0.52) KDRFLT1FLT4FLT3TDP1
SCHEMBL7555658 0.82 KDR (0.73) KDRFLT1FLT4CYP2A6FLT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP claimed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP claimed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO claimed
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP disclosed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP disclosed
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO disclosed